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Open data
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Basic information
Entry | Database: PDB / ID: 4kf1 | |||||||||
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Title | Crystal structure of SsoPox W263I in complex with C10HTL | |||||||||
![]() | Aryldialkylphosphatase | |||||||||
![]() | HYDROLASE / (beta/alpha)8-hydrolase / lactonase | |||||||||
Function / homology | ![]() aryldialkylphosphatase / aryldialkylphosphatase activity / catabolic process / zinc ion binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Gotthard, G. / Hiblot, J. / Chabriere, E. / Elias, M. | |||||||||
![]() | ![]() Title: Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Authors: Hiblot, J. / Gotthard, G. / Elias, M. / Chabriere, E. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 513 KB | Display | ![]() |
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PDB format | ![]() | 440.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4kerC ![]() 4kesC ![]() 4ketC ![]() 4keuC ![]() 4kevC ![]() 4kezC C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 35584.852 Da / Num. of mol.: 4 / Mutation: W263I Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Non-polymers , 7 types, 1087 molecules ![](data/chem/img/CO.gif)
![](data/chem/img/FE2.gif)
![](data/chem/img/HT5.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/FE2.gif)
![](data/chem/img/HT5.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-CO / #3: Chemical | ChemComp-FE2 / #4: Chemical | ChemComp-HT5 / ( #5: Chemical | ChemComp-PG4 / #6: Chemical | ChemComp-GOL / #7: Chemical | ChemComp-EDO / #8: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.39 Å3/Da / Density % sol: 48.62 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 50 mM Tris-HCl, 23-25% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 29, 2011 |
Radiation | Monochromator: channel cut / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.954 Å / Relative weight: 1 |
Reflection | Resolution: 2→45.44 Å / Num. obs: 92509 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.047 Å2
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Refinement step | Cycle: LAST / Resolution: 2→45.44 Å
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Refine LS restraints |
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